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1-Acetylisatin
SpectraBase Compound ID E0SstqrTcg0
InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
InChIKey LPGDEHBASRKTDG-UHFFFAOYSA-N
Mol Weight 189.17 g/mol
Molecular Formula C10H7NO3
Exact Mass 189.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 299ZxaL7H68
Name N-acetylisatin, 2TMS, 1MEOX
Comments Non-derivatized structure shown; Derivatization type: 2 TMS (mass: 362.148); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000043; Note: The molecular formula of the structure shown is C10H7NO3 - which differs from the formula reported for the mass spectrum (C17H26N2O3Si2)
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Formula C17H26N2O3Si2
InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
InChIKey LPGDEHBASRKTDG-UHFFFAOYSA-N
Molecular Weight 189.170 g/mol
SMILES CC(N1c2ccccc2C(C1=O)=O)=O
SPLASH splash10-0gcd-1930000000-610508c9e1ca32c8fc58
Source of Spectrum FM-2019-43-0
Synonyms N-Acetylisatin, 2TMS, 1MEOX Acetylisatin, 2TMS, 1MEOX 1-Acetylisatin, 2TMS, 1MEOX 1-Acetyl-indole-2,3-dione, 2TMS, 1MEOX 1-Acetyl-1H-indole-2,3-dione, 2TMS, 1MEOX 1H-Indole-2,3-dione, 1-acetyl-, 2TMS, 1MEOX 1-Acetylindole-2,3-dione, 2TMS, 1MEOX 1-Acetylindoline-2,3-dione
Wiley ID 1817744